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7-isocyano-1-cycloamphilectene
SpectraBase Compound ID 8hdin2RbG7g
InChI InChI=1S/C21H31N/c1-13-10-15-12-20(2,3)11-14-6-7-17-19(18(14)15)16(13)8-9-21(17,4)22-5/h10,13-14,16-19H,6-9,11-12H2,1-4H3/t13-,14?,16+,17-,18?,19-,21?/m0/s1
InChIKey SITNIMXLUZZBJG-PYYWLOMYSA-N
Mol Weight 297.49 g/mol
Molecular Formula C21H31N
Exact Mass 297.24565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmfwE9SY4vv
Name 7-isocyano-1-cycloamphilectene
CAS Registry Number 108695-79-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N
InChI InChI=1S/C21H31N/c1-13-10-15-12-20(2,3)11-14-6-7-17-19(18(14)15)16(13)8-9-21(17,4)22-5/h10,13-14,16-19H,6-9,11-12H2,1-4H3/t13-,14?,16+,17-,18?,19-,21?/m0/s1
InChIKey SITNIMXLUZZBJG-PYYWLOMYSA-N
Molecular Weight 297.486 g/mol
SMILES C1=2C3[C@@]4([C@](C([N+]#[C-])(C)CC[C@@]4([C@](C2)(C)[H])[H])([H])CCC3CC(C1)(C)C)[H]
SPLASH splash10-05fr-0090000000-0073eda0cd052c3ca29b
Source of Spectrum J-52-3336-1
Synonyms (5aS,5a(1)R,8aR,9R)-6-isocyano-2,2,6,9-tetramethyl-1,2,3,3a,3a(1),4,5,5a,5a(1),6,7,8,8a,9-tetradecahydropyrene
Wiley ID 1300410